全文获取类型
收费全文 | 93篇 |
免费 | 0篇 |
专业分类
化学 | 53篇 |
数学 | 4篇 |
物理学 | 36篇 |
出版年
2019年 | 1篇 |
2017年 | 1篇 |
2014年 | 3篇 |
2013年 | 4篇 |
2012年 | 1篇 |
2011年 | 1篇 |
2010年 | 1篇 |
2008年 | 6篇 |
2007年 | 3篇 |
2006年 | 7篇 |
2005年 | 7篇 |
2004年 | 1篇 |
2003年 | 1篇 |
2002年 | 3篇 |
2001年 | 2篇 |
2000年 | 5篇 |
1999年 | 2篇 |
1997年 | 1篇 |
1996年 | 2篇 |
1995年 | 1篇 |
1994年 | 4篇 |
1993年 | 3篇 |
1992年 | 5篇 |
1991年 | 5篇 |
1989年 | 2篇 |
1988年 | 1篇 |
1985年 | 1篇 |
1979年 | 2篇 |
1978年 | 1篇 |
1977年 | 1篇 |
1976年 | 3篇 |
1969年 | 3篇 |
1968年 | 2篇 |
1943年 | 2篇 |
1924年 | 1篇 |
1908年 | 2篇 |
1886年 | 2篇 |
排序方式: 共有93条查询结果,搜索用时 15 毫秒
51.
Bu HZ Zhao P Dalvie DK Pool WF 《Rapid communications in mass spectrometry : RCM》2007,21(20):3317-3322
Carbamazepine (CBZ)-induced idiosyncratic toxicities are commonly believed to be related to the formation of reactive metabolites. CBZ is metabolized primarily into carbamazepine-10,11-epoxide (CBZE), 2-hydroxycarbamazepine (2-OHCBZ) and 3-hydroxycarbamazepine (3-OHCBZ), in human liver microsomes (HLM). Over the past two decades, the 2,3-arene oxidation has been commonly assumed to be the major bioactivation pathway of CBZ. Recently, CBZE has been also confirmed to be chemically reactive. In order to identify other possible primary and sequential CBZ bioactivation pathways, individual HLM incubations of CBZ, CBZE, 2-OHCBZ and 3-OHCBZ were conducted in the presence of glutathione (GSH). In the CBZ incubation, a variety of GSH adducts were formed via individual or combined pathways of 10,11-epoxidation, arene oxidation and iminoquinone formation. In the CBZE incubation, the only detected GSH adducts were CBZE-SG1 and CBZE-SG2, which represented the two most abundant conjugates observed in the CBZ incubation. In the incubation of either 2-OHCBZ or 3-OHCBZ, a number of sequential GSH adducts were observed. However, none of the 2-OHCBZ-derived GSH adducts were detected in the CBZ incubation. Meanwhile, several GSH adducts were only observed in the CBZ incubation. In conclusion, CBZ can be bioactivated in HLM via 10,11-epoxidation, 2,3-arene oxidation, and several other pathways. In addition, the sequential bioactivation of 3-OHCBZ appeared to play a more important role than that of either CBZE or 2-OHCBZ in the overall bioactivation of CBZ in HLM. The identification of several new bioactivation pathways of CBZ in HLM demonstrates that possible CBZ bioactivation can be more complex than previously thought. 相似文献
52.
53.
54.
55.
René Pool Jaap Heringa Martin Hoefling Roland Schulz Jeremy C. Smith K. Anton Feenstra 《Journal of computational chemistry》2012,33(12):1207-1214
We report on a python interface to the GROMACS molecular simulation package, GromPy (available at https://github.com/GromPy ). This application programming interface (API) uses the ctypes python module that allows function calls to shared libraries, for example, written in C. To the best of our knowledge, this is the first reported interface to the GROMACS library that uses direct library calls. GromPy can be used for extending the current GROMACS simulation and analysis modes. In this work, we demonstrate that the interface enables hybrid Monte‐Carlo/molecular dynamics (MD) simulations in the grand‐canonical ensemble, a simulation mode that is currently not implemented in GROMACS. For this application, the interplay between GromPy and GROMACS requires only minor modifications of the GROMACS source code, not affecting the operation, efficiency, and performance of the GROMACS applications. We validate the grand‐canonical application against MD in the canonical ensemble by comparison of equations of state. The results of the grand‐canonical simulations are in complete agreement with MD in the canonical ensemble. The python overhead of the grand‐canonical scheme is only minimal. © 2012 Wiley Periodicals, Inc. 相似文献
56.
57.
58.
59.
60.
The solid-state electrode is based on tris(thiourea)copper(I) monohydrogen-phosphate and silver(I) sulfide. Potentiometric characteristics are initially excellent but change with continued use. The model proposed to explain the potentiometric behaviour was verified by e.s.c.a. studies. 相似文献